(3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide

C10H18F2N2O2 — CID 168976242

IUPAC(3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide
SMILESCC(F)(F)CC[C@H](N)C(O)C(=O)NC1CC1
InChIInChI=1S/C10H18F2N2O2/c1-10(11,12)5-4-7(13)8(15)9(16)14-6-2-3-6/h6-8,15H,2-5,13H2,1H3,(H,14,16)/t7-,8?/m0/s1
InChIKeyZZYLCWMQGVHZHZ-JAMMHHFISA-N
MW236.26 g/mol
LogP0.39
Rot. Bonds6

About (3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide

(3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide (PubChem CID 168976242) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is (3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide.

Molecular Properties

Compound Name(3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide
PubChem CID168976242
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide
SMILESCC(F)(F)CC[C@H](N)C(O)C(=O)NC1CC1
InChIInChI=1S/C10H18F2N2O2/c1-10(11,12)5-4-7(13)8(15)9(16)14-6-2-3-6/h6-8,15H,2-5,13H2,1H3,(H,14,16)/t7-,8?/m0/s1
InChIKeyZZYLCWMQGVHZHZ-JAMMHHFISA-N
XLogP0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 23634853
(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide
CID 50914002
3-amino-N-cyclopropyl-2-hydroxypentanamide;hydrochloride
CID 67385613
3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide
CID 59578352
(2S,3S)-N,N'-dicyclopropyl-2,3-dihydroxybutanediamide
CID 124582779
(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
(3S)-N-cyclopropyl-2,3-dihydroxyhexanamide
CID 123542351
2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide
CID 54928386
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide
CID 66644721
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide;cyclopropyl(methylidyne)azanium;(2S)-2-methylpentanal
CID 158502325
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride
CID 66644720
(2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide
CID 86762421

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide?
The IUPAC name of (3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide (CID 168976242) is (3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide.
What is the SMILES notation for (3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide?
The canonical SMILES for (3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide is CC(F)(F)CC[C@H](N)C(O)C(=O)NC1CC1.
What is the InChIKey of (3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide?
The InChIKey is ZZYLCWMQGVHZHZ-JAMMHHFISA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-10(11,12)5-4-7(13)8(15)9(16)14-6-2-3-6/h6-8,15H,2-5,13H2,1H3,(H,14,16)/t7-,8?/m0/s1.
What are the key properties of (3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide?
(3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide has a molecular weight of 236.26 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide is sourced from PubChem (CID 168976242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).